Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinecarboxylic acid, 4-cyclohexyl-2-(1,1-dimethylethyl)phenyl ester
RN: 79781-87-6
InChIKey: IKARRQFFZRTPEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O2

Molecular Weight

  • 337.46
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-t-Butyl-4-cyclohexylphenyl nicotinate
  • 2-tert-Butyl-4-cyclohexylphenyl ester of nicotinic acid
  • 4-Cyclohexyl-2-(1,1-dimethylethyl)phenyl 3-pyridinecarboxylate
  • EINECS 279-260-4

Systematic Names

  • 2-tert-Butyl-4-cyclohexylphenyl nicotinate
  • 3-Pyridinecarboxylic acid, 4-cyclohexyl-2-(1,1-dimethylethyl)phenyl ester

Registry Numbers

CAS Registry Number

  • 79781-87-6

System Generated Number

  • 0079781876

Structure Descriptors

InChI

1S/C22H27NO2/c1-22(2,3)19-14-17(16-8-5-4-6-9-16)11-12-20(19)25-21(24)18-10-7-13-23-15-18/h7,10-16H,4-6,8-9H2,1-3H3

InChIKey

IKARRQFFZRTPEB-UHFFFAOYSA-N

Smiles

c1c(cccn1)C(=O)Oc1c(cc(cc1)C1CCCCC1)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 6gm/kg (6000mg/kg)   Drugs of the Future. Vol. 12, Pg. 349, 1987.
rat LD oral > 4gm/kg (4000mg/kg)   Drugs of the Future. Vol. 12, Pg. 349, 1987.
rat LD50 unreported 1700mg/kg (1700mg/kg)   United States Reissue Patent Document. Vol. #RE32581,